Found 4 results

Search term: WIPJTFFRWWHHQW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,4alpha,8xi,9xi,14xi,17xi,24xi)-4-Methylstigmastane-3,20-diol | C30H54O2

(3β,4α,8ξ,9ξ,14ξ,17ξ,24ξ)-4-Methylstigmastane-3,20-diol

  • Molecular FormulaC30H54O2
  • Average mass446.749 Da
  • Monoisotopic mass446.412384 Da
  • ChemSpider ID28282857

  • defined stereocentres - 5 of 11 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,4α,8ξ,9ξ,14ξ,17ξ,24ξ)-4-Methylstigmastan-3,20-diol [German] [ACD/IUPAC Name]
(3β,4α,8ξ,9ξ,14ξ,17ξ,24ξ)-4-Methylstigmastane-3,20-diol [ACD/IUPAC Name]
(3β,4α,8ξ,9ξ,14ξ,17ξ,24ξ)-4-Méthylstigmastane-3,20-diol [French] [ACD/IUPAC Name]
Stigmastane-3,20-diol, 4-methyl-, (3β,4α,8ξ,9ξ,14ξ,17ξ,24ξ)- [ACD/Index Name]
24-ethyl-4a-methylcholestane-3,20-diol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 530.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 211.6±17.2 °C
Index of Refraction: 1.508
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 353774.13
ACD/KOC (pH 5.5): 326100.47
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 353774.13
ACD/KOC (pH 7.4): 326100.47
Polar Surface Area: 40 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

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